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1.
Подробнее
Effective charges on atoms of β-diketonates of metals obtained from x-ray electron spectroscopic data [Электронный ресурс] / V. I. Vovna, V. I. Kharchenko, A. I. Cherednichenko, V. V. Gorchakov // JOURNAL OF STRUCTURAL CHEMISTRY. - 1989. - Vol. 30, № 3. - P. 483-485
Кл.слова (ненормированные):
ДИКЕТОНАТЫ -- РЕНТГЕНОЭЛЕКТРОННАЯ СПЕКТРОСКОПИЯ -- СПЕКТРОСКОПИЯ -- ТРУДЫ ПРЕПОДАВАТЕЛЕЙ ДВГУ
Доп.точки доступа:
KHARCHENKO, VALERIY IVANOVICH
CHEREDNICHENKO, ALEKSANDR IVANOVICH
GORCHAKOV, VIKTOR VASILIEVICH
Effective charges on atoms of β-diketonates of metals obtained from x-ray electron spectroscopic data [Электронный ресурс] / V. I. Vovna, V. I. Kharchenko, A. I. Cherednichenko, V. V. Gorchakov // JOURNAL OF STRUCTURAL CHEMISTRY. - 1989. - Vol. 30, № 3. - P. 483-485
Кл.слова (ненормированные):
ДИКЕТОНАТЫ -- РЕНТГЕНОЭЛЕКТРОННАЯ СПЕКТРОСКОПИЯ -- СПЕКТРОСКОПИЯ -- ТРУДЫ ПРЕПОДАВАТЕЛЕЙ ДВГУ
Доп.точки доступа:
KHARCHENKO, VALERIY IVANOVICH
CHEREDNICHENKO, ALEKSANDR IVANOVICH
GORCHAKOV, VIKTOR VASILIEVICH
2.
Подробнее
V 94
Vovna, Vitaliy Ivanovich.
Photoelectron Spectra and Electron Structure of Boron Difluoride Ethyl Acetonate, Boron DifluorideBenzoil Acetonate, and Its Derivatives [Электронный ресурс] / V. I. Vovna // Russion Journal of Physical Chemistry. - 2011. - Vol. 85, № 11. - P. 1942-1948
Кл.слова (ненормированные):
PHOTOELECTRON -- SPECTROSCOPIC -- ELECTRONIC STRUCTURE
Доп.точки доступа:
Tikhonov, Sergey Aleksandrovich
Lvov, Igor Borisovich
V 94
Vovna, Vitaliy Ivanovich.
Photoelectron Spectra and Electron Structure of Boron Difluoride Ethyl Acetonate, Boron DifluorideBenzoil Acetonate, and Its Derivatives [Электронный ресурс] / V. I. Vovna // Russion Journal of Physical Chemistry. - 2011. - Vol. 85, № 11. - P. 1942-1948
| УДК |
Кл.слова (ненормированные):
PHOTOELECTRON -- SPECTROSCOPIC -- ELECTRONIC STRUCTURE
Доп.точки доступа:
Tikhonov, Sergey Aleksandrovich
Lvov, Igor Borisovich
3.
Подробнее
S 78
Spectroscopic and quantum chemical study of difluoroboron β-diketonate luminophores: isomeric acetylnaphtholate chelates [Электронный ресурс] / S. A. Tikhonov, E. V. Fedorenko, A. G. Mirochnik [и др.] // Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc]. - 2019. - Vol. 214. - С. 67-78DOI 10.1016/j.saa.2019.02.002
Кл.слова (ненормированные):
ДВФУ (труды преподавателей) -- spectra -- spectroscopy -- quantum chemistry
Доп.точки доступа:
Tikhonov, Sergey Aleksandrovich
Fedorenko, Elena Valerievna
Mirochnik, Anatoliy Grigorievich
Osmushko, Ivan Sergeevich
Skitnevskaya, Anna D.
Trofimov, Alexander
Vovna, Vitaliy Ivanovich
S 78
Spectroscopic and quantum chemical study of difluoroboron β-diketonate luminophores: isomeric acetylnaphtholate chelates [Электронный ресурс] / S. A. Tikhonov, E. V. Fedorenko, A. G. Mirochnik [и др.] // Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc]. - 2019. - Vol. 214. - С. 67-78DOI 10.1016/j.saa.2019.02.002
| УДК |
Кл.слова (ненормированные):
ДВФУ (труды преподавателей) -- spectra -- spectroscopy -- quantum chemistry
Доп.точки доступа:
Tikhonov, Sergey Aleksandrovich
Fedorenko, Elena Valerievna
Mirochnik, Anatoliy Grigorievich
Osmushko, Ivan Sergeevich
Skitnevskaya, Anna D.
Trofimov, Alexander
Vovna, Vitaliy Ivanovich
4.
Подробнее
S 22
Saravanan, R.
Non-Linear Optical Materials [[electronic resource].] / R. Saravanan. - Millersville, PA : : Materials Research Forum LLC,, 2018. - 1 online resource (196 p.). - (Materials Research Foundations ; ; v.28). - URL: https://library.dvfu.ru/lib/document/SK_ELIB/71B83B94-ACD4-4592-971A-E985D64333C2. - ISBN 9781945291616 (electronic bk.). - ISBN 1945291613 (electronic bk.)
Description based upon print version of record. 3.7.1 Size and EDS analysis of Al2O3, Cr:Al2O3 and V:Al2O3
Параллельные издания: Print version: : Saravanan, R. Non-Linear Optical Materials. - Millersville, PA : Materials Research Forum LLC,c2018. - ISBN 9781945291609
Содержание:
Intro; front-matter; Table of Contents; 1; 1.1 Objectives; 1.2 Optics: An Introduction; 1.3 Linear optical medium; 1.4 Theory of non-linear optics; 1.5 Characterization techniques; 1.5.1 X-ray diffraction; 1.5.2 Grain size analysis from XRD; 1.5.3 Micro-structural characterization; 1.5.4 Scanning electron microscopy; 1.5.5 Energy Dispersive X-ray spectroscopy (EDS); 1.5.6 UV-Visible spectroscopy; 1.6 Theoretical framework on charge density; 1.6.1 Structure factors and electron density; 1.6.2 Least-squares refinement; 1.7 X-ray powder refinement technique through Rietveld method
1.7.1 The Rietveld strategy1.7.2 Peak shape function; 1.7.3 Peak width function; 1.7.4 Profile asymmetry and peak shift; 1.7.5 Preferred orientation function; 1.7.6 Refinement procedure; 1.7.7 Rietveld strategy with JANA2006; 1.8 Entropy maximized charge density distribution; 1.8.1 Overview of theoretical explanation of MEM; 1.8.2 Advantages of maximum entropy method; 1.8.3 Computational procedure of MEM; 1.9 Local structure analysis by atomic pair distribution function (PDF); 1.9.1 Atomic pair distribution function (PDF); 1.9.2 Practical aspects of pair distribution function
1.10 A review of the NLO materials chosen for the present investigation1.10.1 Lead molybdate (PbMoO4); 1.10.2 Lithium niobate (LiNbO3); 1.10.3 Ce doped gadolinium gallium garnet (Ce:Gd3Ga5O12); 1.10.4 Calcite (CaCO3); 1.10.5 Yb doped calcium fluoride (Yb:CaF2); 1.10.6 Aluminium oxide (Al2O3), Cr:Al2O3 and V:Al2O3; 1.11 Scope of the present work; References; 2; 2.1 Introduction; 2.2 Lead molybdate (PbMoO4); 2.2.1 Powder X-ray data analysis of PbMoO4; 2.3 Lithium niobate (LiNbO3); 2.3.1 Sample preparation of LiNbO3; 2.3.2 Powder X-ray analysis of LiNbO3
2.4 Gadolinium gallium garnet (Gd3Ga5O12)2.4.1 Sample preparation of Gd3-xCexGa5O12; 2.4.2 Powder X-ray analysis of Gd3-xCexGa5O12; 2.5 Calcite (CaCO3); 2.5.1 Sample preparation of CaCO3; 2.5.2 Powder X-ray analysis of CaCO3; 2.6 Calcium fluoride (CaF2); 2.6.1 Sample preparation of Yb doped CaF2; 2.6.2 Powder X-ray analysis of Yb doped CaF2; 2.7 Aluminium oxide (Al2O3); 2.7.1 Powder X-ray data analysis of Al2O3, Cr:Al2O3 and V:Al2O3; 2.8 Conclusion; References; 3; 3.1 Introduction; 3.1.1 Optical band gap analysis; 3.1.2 Size and energy dispersive X-ray spectroscopic analysis
3.2 Lead molybdate (PbMoO4)3.2.1 Optical band gap analysis of PbMoO4; 3.2.2 Size and EDS analysis of PbMoO4; 3.3 Lithium niobate (LiNbO3); 3.3.1 Optical band gap analysis of LiNbO3; 3.3.2 Size and EDS analysis of LiNbO3; 3.4 Gadolinium gallium garnet (Gd3Ga5O12); 3.4.1 Optical band gap analysis of Gd3-xCexGa5O12; 3.4.2 Size analysis of Gd3-xCexGa5O12; 3.5 Calcite (CaCO3); 3.5.1 Optical band gap analysis of CaCO3; 3.5.2 Size and EDS analysis of CaCO3; 3.6 Calcium fluoride (CaF2); 3.6.1 Size and EDS analysis of Ca1-xYbxF2; 3.7 Aluminium oxide (Al2O3)
~РУБ DDC 535.2
Рубрики: Nonlinear optics--Materials.
Nonlinear optics--Materials.
SCIENCE / Physics / Optics & Light
Аннотация: Non-linear optical materials have widespread and promising applications, but the efforts to understand the local structure, electron density distribution and bonding is still lacking. The present work explores the structural details, the electron density distribution and the local bond length distribution of some non-linear optical materials. It also gives estimation of the optical band gap, the particle size, crystallite size, and the elemental composition from UV-Visible analysis, SEM, XRD and EDS of some non-linear optical materials respectively.
S 22
Saravanan, R.
Non-Linear Optical Materials [[electronic resource].] / R. Saravanan. - Millersville, PA : : Materials Research Forum LLC,, 2018. - 1 online resource (196 p.). - (Materials Research Foundations ; ; v.28). - URL: https://library.dvfu.ru/lib/document/SK_ELIB/71B83B94-ACD4-4592-971A-E985D64333C2. - ISBN 9781945291616 (electronic bk.). - ISBN 1945291613 (electronic bk.)
Description based upon print version of record. 3.7.1 Size and EDS analysis of Al2O3, Cr:Al2O3 and V:Al2O3
Параллельные издания: Print version: : Saravanan, R. Non-Linear Optical Materials. - Millersville, PA : Materials Research Forum LLC,c2018. - ISBN 9781945291609
Содержание:
Intro; front-matter; Table of Contents; 1; 1.1 Objectives; 1.2 Optics: An Introduction; 1.3 Linear optical medium; 1.4 Theory of non-linear optics; 1.5 Characterization techniques; 1.5.1 X-ray diffraction; 1.5.2 Grain size analysis from XRD; 1.5.3 Micro-structural characterization; 1.5.4 Scanning electron microscopy; 1.5.5 Energy Dispersive X-ray spectroscopy (EDS); 1.5.6 UV-Visible spectroscopy; 1.6 Theoretical framework on charge density; 1.6.1 Structure factors and electron density; 1.6.2 Least-squares refinement; 1.7 X-ray powder refinement technique through Rietveld method
1.7.1 The Rietveld strategy1.7.2 Peak shape function; 1.7.3 Peak width function; 1.7.4 Profile asymmetry and peak shift; 1.7.5 Preferred orientation function; 1.7.6 Refinement procedure; 1.7.7 Rietveld strategy with JANA2006; 1.8 Entropy maximized charge density distribution; 1.8.1 Overview of theoretical explanation of MEM; 1.8.2 Advantages of maximum entropy method; 1.8.3 Computational procedure of MEM; 1.9 Local structure analysis by atomic pair distribution function (PDF); 1.9.1 Atomic pair distribution function (PDF); 1.9.2 Practical aspects of pair distribution function
1.10 A review of the NLO materials chosen for the present investigation1.10.1 Lead molybdate (PbMoO4); 1.10.2 Lithium niobate (LiNbO3); 1.10.3 Ce doped gadolinium gallium garnet (Ce:Gd3Ga5O12); 1.10.4 Calcite (CaCO3); 1.10.5 Yb doped calcium fluoride (Yb:CaF2); 1.10.6 Aluminium oxide (Al2O3), Cr:Al2O3 and V:Al2O3; 1.11 Scope of the present work; References; 2; 2.1 Introduction; 2.2 Lead molybdate (PbMoO4); 2.2.1 Powder X-ray data analysis of PbMoO4; 2.3 Lithium niobate (LiNbO3); 2.3.1 Sample preparation of LiNbO3; 2.3.2 Powder X-ray analysis of LiNbO3
2.4 Gadolinium gallium garnet (Gd3Ga5O12)2.4.1 Sample preparation of Gd3-xCexGa5O12; 2.4.2 Powder X-ray analysis of Gd3-xCexGa5O12; 2.5 Calcite (CaCO3); 2.5.1 Sample preparation of CaCO3; 2.5.2 Powder X-ray analysis of CaCO3; 2.6 Calcium fluoride (CaF2); 2.6.1 Sample preparation of Yb doped CaF2; 2.6.2 Powder X-ray analysis of Yb doped CaF2; 2.7 Aluminium oxide (Al2O3); 2.7.1 Powder X-ray data analysis of Al2O3, Cr:Al2O3 and V:Al2O3; 2.8 Conclusion; References; 3; 3.1 Introduction; 3.1.1 Optical band gap analysis; 3.1.2 Size and energy dispersive X-ray spectroscopic analysis
3.2 Lead molybdate (PbMoO4)3.2.1 Optical band gap analysis of PbMoO4; 3.2.2 Size and EDS analysis of PbMoO4; 3.3 Lithium niobate (LiNbO3); 3.3.1 Optical band gap analysis of LiNbO3; 3.3.2 Size and EDS analysis of LiNbO3; 3.4 Gadolinium gallium garnet (Gd3Ga5O12); 3.4.1 Optical band gap analysis of Gd3-xCexGa5O12; 3.4.2 Size analysis of Gd3-xCexGa5O12; 3.5 Calcite (CaCO3); 3.5.1 Optical band gap analysis of CaCO3; 3.5.2 Size and EDS analysis of CaCO3; 3.6 Calcium fluoride (CaF2); 3.6.1 Size and EDS analysis of Ca1-xYbxF2; 3.7 Aluminium oxide (Al2O3)
Рубрики: Nonlinear optics--Materials.
Nonlinear optics--Materials.
SCIENCE / Physics / Optics & Light
Аннотация: Non-linear optical materials have widespread and promising applications, but the efforts to understand the local structure, electron density distribution and bonding is still lacking. The present work explores the structural details, the electron density distribution and the local bond length distribution of some non-linear optical materials. It also gives estimation of the optical band gap, the particle size, crystallite size, and the elemental composition from UV-Visible analysis, SEM, XRD and EDS of some non-linear optical materials respectively.
5.
Подробнее
E 43
Elastic light scattering spectrometry / / Cheng Zhi Huang, Jian Ling, Jian Wang. - 1515/9783110573138. - Berlin ; ; Boston : : De Gruyter,, ©2019. - 1 online resource (410 pages : illustrations (some colour)). : il ( час. мин.), 1515/9783110573138. - Includes bibliographical references and index. - URL: https://library.dvfu.ru/lib/document/SK_ELIB/5628096F-DA64-4FFF-8160-9F23CBD8EAC2. - ISBN 9783110573138 (PDF). - ISBN 311057313X (PDF)
Description based on online resource; title from PDF title page (publisher's Web site, viewed 23. Jan 2019).
~РУБ DDC 540
Рубрики: Spectrum analysis.
Light--Scattering.
Light--Scattering.
Spectrum analysis.
Аннотация: "Light scattering is one of the very common phenomena in nature. Light scatterometry has long been applied for atmospheric remote sensing and air quality monitoring, but its application field is relatively limited. This book at first gives a brief introduction of several important light scattering phenomena from the perspectives of the aspects of analytical chemistry. On the basis of a through introduction of light scattering theory, this book then introduces the measurements of light scattering signals, the elastic light scattering (ELS) spectrometry of different particles systems including the aggregation of organic dyes, plasmonic nanoparticles, and bioparticles, and extends their applications into life and environmental analytical chemistry. This book is the first of its kind to extend ELS measurements to various branches of modern spectroscopic analytical chemistry, which reflects the application prospects of ELS signals in spetroscopic analysis, especially in the imaging field"--Print version, page 4 of cover.
Доп.точки доступа:
China Science Publishing & Media Ltd.
E 43
Elastic light scattering spectrometry / / Cheng Zhi Huang, Jian Ling, Jian Wang. - 1515/9783110573138. - Berlin ; ; Boston : : De Gruyter,, ©2019. - 1 online resource (410 pages : illustrations (some colour)). : il ( час. мин.), 1515/9783110573138. - Includes bibliographical references and index. - URL: https://library.dvfu.ru/lib/document/SK_ELIB/5628096F-DA64-4FFF-8160-9F23CBD8EAC2. - ISBN 9783110573138 (PDF). - ISBN 311057313X (PDF)
Description based on online resource; title from PDF title page (publisher's Web site, viewed 23. Jan 2019).
Рубрики: Spectrum analysis.
Light--Scattering.
Light--Scattering.
Spectrum analysis.
Аннотация: "Light scattering is one of the very common phenomena in nature. Light scatterometry has long been applied for atmospheric remote sensing and air quality monitoring, but its application field is relatively limited. This book at first gives a brief introduction of several important light scattering phenomena from the perspectives of the aspects of analytical chemistry. On the basis of a through introduction of light scattering theory, this book then introduces the measurements of light scattering signals, the elastic light scattering (ELS) spectrometry of different particles systems including the aggregation of organic dyes, plasmonic nanoparticles, and bioparticles, and extends their applications into life and environmental analytical chemistry. This book is the first of its kind to extend ELS measurements to various branches of modern spectroscopic analytical chemistry, which reflects the application prospects of ELS signals in spetroscopic analysis, especially in the imaging field"--Print version, page 4 of cover.
Доп.точки доступа:
China Science Publishing & Media Ltd.
6.
Подробнее
H 94
Hussan, Safna.
Theoretical and Spectroscopic Investigations on Ionogels / / by Safna Hussan KP and Mohamed Shahin Thayyil. - Newcastle-upon-Tyne : : Cambridge Scholars Publisher,, 2019. - 1 online resource (164 pages). - URL: https://library.dvfu.ru/lib/document/SK_ELIB/7D8A6482-54A3-4837-8C25-E616A792110B. - ISBN 1527540383 (electronic book). - ISBN 9781527540385 (electronic book)
Description based on online resource; title from digital title page (viewed on November 25, 2019).
Параллельные издания: Print version: : Hussan KP, Safna. Theoretical and Spectroscopic Investigations on Ionogels. - Newcastle-upon-Tyne : Cambridge Scholars Publisher, ©2019. - ISBN 9781527537453
~РУБ DDC 541.372
Рубрики: Ionic solutions.
Polymer colloids.
Аннотация: Today, an enormous amount of research is devoted to immobilizing ionic liquid (IL) for electrochemical applications, due to its potential as an excellent substitute for liquid electrolytes. Among the more well-known strategies, entrapping IL in the polymer matrix can be considered as a feasible, low cost method for large scale production of ionogel. The versatility of both IL and polymer chemistry allows us to develop an infinite number of ionogels. This book provides a complete overview of this subject, moving from the development of ionogel to its application. It covers characterization tech.
Доп.точки доступа:
Thayyil, Mohamed Shahin.
H 94
Hussan, Safna.
Theoretical and Spectroscopic Investigations on Ionogels / / by Safna Hussan KP and Mohamed Shahin Thayyil. - Newcastle-upon-Tyne : : Cambridge Scholars Publisher,, 2019. - 1 online resource (164 pages). - URL: https://library.dvfu.ru/lib/document/SK_ELIB/7D8A6482-54A3-4837-8C25-E616A792110B. - ISBN 1527540383 (electronic book). - ISBN 9781527540385 (electronic book)
Description based on online resource; title from digital title page (viewed on November 25, 2019).
Параллельные издания: Print version: : Hussan KP, Safna. Theoretical and Spectroscopic Investigations on Ionogels. - Newcastle-upon-Tyne : Cambridge Scholars Publisher, ©2019. - ISBN 9781527537453
Рубрики: Ionic solutions.
Polymer colloids.
Аннотация: Today, an enormous amount of research is devoted to immobilizing ionic liquid (IL) for electrochemical applications, due to its potential as an excellent substitute for liquid electrolytes. Among the more well-known strategies, entrapping IL in the polymer matrix can be considered as a feasible, low cost method for large scale production of ionogel. The versatility of both IL and polymer chemistry allows us to develop an infinite number of ionogels. This book provides a complete overview of this subject, moving from the development of ionogel to its application. It covers characterization tech.
Доп.точки доступа:
Thayyil, Mohamed Shahin.
7.
Подробнее
S 78
Spectroscopic methods in mineralogy and materials sciences / / editors, Grant S. Henderson, Daniel R. Neuville, Robert T. Downs. - [Berlin, Germany] : : De Gruyter,, ©2015. - 1 online resource. : il. - (Reviews in Mineralogy and Geochemistry, ; volume 78). - Includes bibliographical references at the end of each chapters. - URL: https://library.dvfu.ru/lib/document/SK_ELIB/5358F74A-76ED-4C0F-8538-13DB30669E5B. - ISBN 9781614517863 (electronic bk.). - ISBN 161451786X (electronic bk.). - ISBN 9781501510618 (electronic bk.). - ISBN 1501510614 (electronic bk.)
Print version record.
Параллельные издания: Print version: : Spectroscopic methods in mineralogy and materials sciences. - [Berlin, Germany] : De Gruyter, ©2015. - ISBN 9780939950935
~РУБ DDC 543.5
Рубрики: Mineralogy, Determinative.
Spectrum analysis.
Minerals--Spectra.
Materials--Spectra.
Materials science.
Raman spectroscopy.
X-ray spectroscopy.
Infrared spectroscopy.
Ultraviolet spectroscopy.
Luminescence spectroscopy.
Infrared spectroscopy.
Luminescence spectroscopy.
Materials science.
Materials--Spectra.
Mineralogy, Determinative.
Minerals--Spectra.
Raman spectroscopy.
Spectrum analysis.
Ultraviolet spectroscopy.
X-ray spectroscopy.
SCIENCE / Chemistry / Analytic
Доп.точки доступа:
Henderson, Grant Stephen, (1956-) \editor.\
Neuville, Daniel R., \editor.\
Downs, Robert T., (1955-) \editor.\
S 78
Spectroscopic methods in mineralogy and materials sciences / / editors, Grant S. Henderson, Daniel R. Neuville, Robert T. Downs. - [Berlin, Germany] : : De Gruyter,, ©2015. - 1 online resource. : il. - (Reviews in Mineralogy and Geochemistry, ; volume 78). - Includes bibliographical references at the end of each chapters. - URL: https://library.dvfu.ru/lib/document/SK_ELIB/5358F74A-76ED-4C0F-8538-13DB30669E5B. - ISBN 9781614517863 (electronic bk.). - ISBN 161451786X (electronic bk.). - ISBN 9781501510618 (electronic bk.). - ISBN 1501510614 (electronic bk.)
Print version record.
Параллельные издания: Print version: : Spectroscopic methods in mineralogy and materials sciences. - [Berlin, Germany] : De Gruyter, ©2015. - ISBN 9780939950935
Рубрики: Mineralogy, Determinative.
Spectrum analysis.
Minerals--Spectra.
Materials--Spectra.
Materials science.
Raman spectroscopy.
X-ray spectroscopy.
Infrared spectroscopy.
Ultraviolet spectroscopy.
Luminescence spectroscopy.
Infrared spectroscopy.
Luminescence spectroscopy.
Materials science.
Materials--Spectra.
Mineralogy, Determinative.
Minerals--Spectra.
Raman spectroscopy.
Spectrum analysis.
Ultraviolet spectroscopy.
X-ray spectroscopy.
SCIENCE / Chemistry / Analytic
Доп.точки доступа:
Henderson, Grant Stephen, (1956-) \editor.\
Neuville, Daniel R., \editor.\
Downs, Robert T., (1955-) \editor.\
8.
Подробнее
C 73
Computational chemistry methods : : applications / / edited by Ponnadurai Ramasami. - 1515/9783110631623. - Berlin ; ; Boston : : De Gruyter,, ©2020. - 1 online resource (xiii, 181 pages) : : il ( час. мин.), 1515/9783110631623. - Includes bibliographical references and index. - URL: https://library.dvfu.ru/lib/document/SK_ELIB/55D1D294-795B-41C3-99D4-CEEC7ECE7CCD. - ISBN 9783110631623. - ISBN 3110631628. - ISBN 9783110629927 (electronic bk.). - ISBN 3110629925 (electronic bk.)
Description based on online resource; title from PDF title page (publisher's Web site, viewed 26. Aug 2020).
Параллельные издания:
1.
2.
~РУБ DDC 541.0285
Рубрики: Chemistry--Data processing.
Computational chemistry.
Cheminformatics.
Ab-initio-Rechnung.
Computational Chemistry.
Modellierung.
Chimio-informatique.
SCIENCE / Chemistry / Computational & Molecular Modeling.
Chemistry--Data processing.
Computational chemistry.
Аннотация: This book reviews a variety of methods in computational chemistry and their applications in different fields of current research. Ab initio methods and regression analyses are discussed with special focus on their application to investigate chemical structures as for example dyes or drug compounds. Further topics are the use of computational methods in the modeling of spectroscopic data or to study reaction mechanisms.
Доп.точки доступа:
Ramasami, Ponnadurai, \ed.\
C 73
Computational chemistry methods : : applications / / edited by Ponnadurai Ramasami. - 1515/9783110631623. - Berlin ; ; Boston : : De Gruyter,, ©2020. - 1 online resource (xiii, 181 pages) : : il ( час. мин.), 1515/9783110631623. - Includes bibliographical references and index. - URL: https://library.dvfu.ru/lib/document/SK_ELIB/55D1D294-795B-41C3-99D4-CEEC7ECE7CCD. - ISBN 9783110631623. - ISBN 3110631628. - ISBN 9783110629927 (electronic bk.). - ISBN 3110629925 (electronic bk.)
Description based on online resource; title from PDF title page (publisher's Web site, viewed 26. Aug 2020).
Параллельные издания:
1.
2.
Рубрики: Chemistry--Data processing.
Computational chemistry.
Cheminformatics.
Ab-initio-Rechnung.
Computational Chemistry.
Modellierung.
Chimio-informatique.
SCIENCE / Chemistry / Computational & Molecular Modeling.
Chemistry--Data processing.
Computational chemistry.
Аннотация: This book reviews a variety of methods in computational chemistry and their applications in different fields of current research. Ab initio methods and regression analyses are discussed with special focus on their application to investigate chemical structures as for example dyes or drug compounds. Further topics are the use of computational methods in the modeling of spectroscopic data or to study reaction mechanisms.
Доп.точки доступа:
Ramasami, Ponnadurai, \ed.\
Page 1, Results: 8